Information card for entry 7031455

Structure parameters

• Chemical name: poly[[bis-(N,N-dimethylformamide)-tetrakis(methanol)-(μ~6~- 1,3,5,7-tetrakis(5-tetrazolato)adamantane-dimanganese(II)] N,N-dimethylformamide, bis-methanol, di-water solvate]
• Formula: C29 H61 Mn2 N19 O11
• Calculated formula: C24 H38 Mn2 N18 O6
• Title of publication: 1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).
• Authors of publication: Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12590 - 12605
• a: 21.439 ± 0.004 Å
• b: 12.674 ± 0.003 Å
• c: 18.917 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5140.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No